4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole

Systemtic Name: 4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole Formula: C16H18N5S2+ MolecularWeight: 344.47762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=NC=CC=N4

InChI

InChI=1S/C16H17N5S2/c1-3-17-16(18-4-1)21-7-5-20(6-8-21)10-14-12-23-15(19-14)13-2-9-22-11-13/h1-4,9,11-12H,5-8,10H2/p+1